SCHEMBL1996700

SCHEMBL1996700

COC(=O)Cc1cc(N2CCN(C)CC2)nc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.66
ALDH1A1 P00352 4/20 0.66
KMT2A Q03164 3/20 0.66
MEN1 O00255 2/20 0.66
USP2 O75604 1/20 0.66
PKM P14618 1/20 0.66
HTR3A P46098 2/20 0.57
MAPT P10636 3/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 1/20 0.47
POLB P06746 2/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1992970 0.87 KMT2A (0.56) KDM4EALDH1A1KMT2AMEN1USP2
SCHEMBL1996892 0.85 HTR3A (0.62) KDM4EALDH1A1KMT2AMEN1USP2
SCHEMBL5910624 0.82 KMT2A (0.69) KDM4EALDH1A1KMT2AMEN1USP2
SCHEMBL28538954 0.81 KDM4E (0.98) KDM4EALDH1A1KMT2AMEN1USP2
SCHEMBL28455263 0.77 KDM4E (0.75) KDM4EALDH1A1KMT2AMEN1USP2
SCHEMBL14691897 0.75 GRIN2D (0.50) KDM4EALDH1A1KMT2AMEN1USP2
SCHEMBL2998031 0.74 KDM4E (0.61) KDM4EALDH1A1KMT2AMEN1USP2
SCHEMBL30964777 0.74 KDM4E (0.61) KDM4EALDH1A1KMT2AMEN1USP2
SCHEMBL6663891 0.74 NCF1 (0.51) KMT2AMEN1USP2POLB
SCHEMBL15919425 0.74 ACACA (0.48) KDM4EALDH1A1KMT2AMEN1USP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO KDM4E 3351/4885ALDH1A1 297/4885KMT2A 3648/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.